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BDBM50010446 1,7,1',7'-Tetrahydroxy-5,5'-diisopropyl-6,6'-dimethoxy-3,3'-dimethyl-[2,2']binaphthalenyl-8,8'-dicarbaldehyde::CHEMBL112743

SMILES: COc1c(O)c(C=O)c2c(O)c(c(C)cc2c1C(C)C)-c1c(C)cc2c(C(C)C)c(OC)c(O)c(C=O)c2c1O

InChI Key: InChIKey=OUHOXIPLBJIWEG-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50010446   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aldose reductase (AR)


(Homo sapiens (Human))		BDBM50010446
PNG
(1,7,1',7'-Tetrahydroxy-5,5'-diisopropyl-6,6'-dimet...)
Show SMILES COc1c(O)c(C=O)c2c(O)c(c(C)cc2c1C(C)C)-c1c(C)cc2c(C(C)C)c(OC)c(O)c(C=O)c2c1O |(5.52,-15.79,;4.18,-15.03,;2.85,-15.81,;2.87,-17.36,;4.21,-18.11,;1.54,-18.13,;1.55,-19.67,;.22,-20.45,;.21,-17.37,;-1.11,-18.15,;-1.1,-19.69,;-2.45,-17.39,;-2.46,-15.86,;-3.81,-15.1,;-1.14,-15.08,;.21,-15.84,;1.52,-15.06,;1.51,-13.52,;2.84,-12.74,;.17,-12.76,;-3.78,-18.16,;-3.77,-19.71,;-2.43,-20.48,;-5.1,-20.49,;-6.44,-19.72,;-7.77,-20.5,;-7.77,-22.04,;-9.1,-22.81,;-6.43,-22.81,;-9.1,-19.73,;-10.44,-20.5,;-11.96,-19.65,;-9.1,-18.18,;-10.44,-17.41,;-7.77,-17.41,;-7.78,-15.87,;-6.45,-15.1,;-6.44,-18.18,;-5.11,-17.4,;-5.12,-15.86,)|
Show InChI InChI=1S/C32H34O8/c1-13(2)21-17-9-15(5)23(29(37)25(17)19(11-33)27(35)31(21)39-7)24-16(6)10-18-22(14(3)4)32(40-8)28(36)20(12-34)26(18)30(24)38/h9-14,35-38H,1-8H3
PDB

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Patents

Similars
PubMed
 1.50E+3n/an/an/an/an/an/an/an/a



University of New Mexico School of Medicine

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Aldose reductase from human placenta

J Med Chem 34: 3301-5 (1991)


BindingDB Entry DOI: 10.7270/Q2VM4B7C
More data for this
Ligand-Target Pair